N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C13H17ClN2O2 — CID 114147636

IUPACN-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-2-9(6-11)8-16-13(18)10-4-5-15-12(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,15,17)(H,16,18)
InChIKeyUGLVMWMJERFVHI-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.90
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114147636) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114147636
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-2-9(6-11)8-16-13(18)10-4-5-15-12(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,15,17)(H,16,18)
InChIKeyUGLVMWMJERFVHI-UHFFFAOYSA-N
XLogP1.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
N-[2-(3-methylcyclohexyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765554
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 114147636) is N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC1CCCC(Cl)C1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is UGLVMWMJERFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-3-1-2-9(6-11)8-16-13(18)10-4-5-15-12(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,15,17)(H,16,18).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114147636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).